4-[(3-fluoro-2-pyridinyl)amino]-5-phenylpentanoic acid

C16H17FN2O2 — CID 122064301

IUPAC4-[(3-fluoro-2-pyridinyl)amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)Nc1ncccc1F
InChIInChI=1S/C16H17FN2O2/c17-14-7-4-10-18-16(14)19-13(8-9-15(20)21)11-12-5-2-1-3-6-12/h1-7,10,13H,8-9,11H2,(H,18,19)(H,20,21)
InChIKeyZDYARKXXHLCPRY-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.11
Rot. Bonds7

About 4-[(3-fluoro-2-pyridinyl)amino]-5-phenylpentanoic acid

4-[(3-fluoro-2-pyridinyl)amino]-5-phenylpentanoic acid (PubChem CID 122064301) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-[(3-fluoro-2-pyridinyl)amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(3-fluoro-2-pyridinyl)amino]-5-phenylpentanoic acid
PubChem CID122064301
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name4-[(3-fluoro-2-pyridinyl)amino]-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)Nc1ncccc1F
InChIInChI=1S/C16H17FN2O2/c17-14-7-4-10-18-16(14)19-13(8-9-15(20)21)11-12-5-2-1-3-6-12/h1-7,10,13H,8-9,11H2,(H,18,19)(H,20,21)
InChIKeyZDYARKXXHLCPRY-UHFFFAOYSA-N
XLogP3.11
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-chloro-3-phenylpropan-2-yl)-3-fluoropyridin-2-amine
CID 65028967
4-[(2-methylpyrimidin-4-yl)amino]-5-phenylpentanoic acid
CID 122064202
(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 155468055
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122000992
4-[(5-cyanopyrazin-2-yl)amino]-5-phenylpentanoic acid
CID 122064321
4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-5-phenylpentanoic acid
CID 122064162
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
2-[(3-chloro-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 63261066
4-[(3-aminopyrazine-2-carbonyl)amino]-5-phenylpentanoic acid
CID 120546825
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
4-(cyclooctylamino)-5-phenylpentanoic acid
CID 122046085

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-2-pyridinyl)amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(3-fluoro-2-pyridinyl)amino]-5-phenylpentanoic acid (CID 122064301) is 4-[(3-fluoro-2-pyridinyl)amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(3-fluoro-2-pyridinyl)amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(3-fluoro-2-pyridinyl)amino]-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)Nc1ncccc1F.
What is the InChIKey of 4-[(3-fluoro-2-pyridinyl)amino]-5-phenylpentanoic acid?
The InChIKey is ZDYARKXXHLCPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-14-7-4-10-18-16(14)19-13(8-9-15(20)21)11-12-5-2-1-3-6-12/h1-7,10,13H,8-9,11H2,(H,18,19)(H,20,21).
What are the key properties of 4-[(3-fluoro-2-pyridinyl)amino]-5-phenylpentanoic acid?
4-[(3-fluoro-2-pyridinyl)amino]-5-phenylpentanoic acid has a molecular weight of 288.32 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-2-pyridinyl)amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122064301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).